From cd9ad0b7d21d851ef443b402789f493feee01ac2 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 30 Jan 2014 18:18:18 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11391 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/DIPOLE/atom_vec_dipole.h | 4 ---- src/DIPOLE/pair_lj_cut_dipole_long.h | 4 ---- src/DIPOLE/pair_lj_long_dipole_long.h | 12 ------------ src/GPU/gpu_extra.h | 3 ++- src/GPU/pair_lj_gromacs_gpu.h | 5 ----- src/KSPACE/pair_buck_long_coul_long.h | 4 ---- src/KSPACE/pair_lj_long_coul_long.h | 16 ---------------- src/KSPACE/pppm.h | 5 ----- src/MANYBODY/fix_qeq_comb.h | 4 ---- src/MANYBODY/pair_airebo.h | 6 ------ src/MOLECULE/atom_vec_bond.h | 4 ---- src/MOLECULE/atom_vec_full.h | 4 ---- src/MOLECULE/atom_vec_molecular.h | 4 ---- src/MOLECULE/atom_vec_template.h | 6 ------ src/PERI/atom_vec_peri.h | 4 ---- src/PERI/pair_peri_lps.h | 4 ---- src/PERI/pair_peri_pmb.h | 4 ---- src/SHOCK/fix_wall_piston.h | 4 ---- src/SRD/fix_srd.h | 5 ----- src/SRD/fix_wall_srd.h | 5 ----- src/atom_vec_atomic.h | 4 ---- src/atom_vec_body.h | 4 ---- src/atom_vec_charge.h | 4 ---- src/atom_vec_ellipsoid.h | 4 ---- src/atom_vec_hybrid.h | 4 ---- src/atom_vec_line.h | 4 ---- src/atom_vec_sphere.h | 4 ---- src/atom_vec_tri.h | 4 ---- src/change_box.h | 5 ----- src/compute_temp_ramp.h | 5 ----- src/displace_atoms.h | 5 ----- src/fix_deform.h | 4 ---- src/fix_dt_reset.h | 5 ----- src/fix_indent.h | 5 ----- src/fix_move.h | 5 ----- src/fix_recenter.h | 5 ----- src/fix_shear_history.h | 6 ------ src/fix_wall.h | 5 ----- src/fix_wall_reflect.h | 5 ----- src/force.h | 8 -------- src/image.h | 4 ---- src/region.h | 5 ----- src/respa.h | 9 --------- 43 files changed, 2 insertions(+), 218 deletions(-) diff --git a/src/DIPOLE/atom_vec_dipole.h b/src/DIPOLE/atom_vec_dipole.h index e5a413ccd5..abe7db9899 100644 --- a/src/DIPOLE/atom_vec_dipole.h +++ b/src/DIPOLE/atom_vec_dipole.h @@ -82,8 +82,4 @@ E: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.h b/src/DIPOLE/pair_lj_cut_dipole_long.h index a373cf2965..3c156a0ff0 100755 --- a/src/DIPOLE/pair_lj_cut_dipole_long.h +++ b/src/DIPOLE/pair_lj_cut_dipole_long.h @@ -81,8 +81,4 @@ E: Pair style requires a KSpace style No kspace style is defined. -U: Pair dipole/cut requires atom attributes q, mu, torque - -The atom style defined does not have these attributes. - */ diff --git a/src/DIPOLE/pair_lj_long_dipole_long.h b/src/DIPOLE/pair_lj_long_dipole_long.h index df14837bca..cedf725547 100755 --- a/src/DIPOLE/pair_lj_long_dipole_long.h +++ b/src/DIPOLE/pair_lj_long_dipole_long.h @@ -120,16 +120,4 @@ E: Pair cutoff < Respa interior cutoff One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs. -U: Using largest cutoff for lj/long/dipole/long - -Self-exlanatory. - -U: Cutoffs missing in pair_style lj/long/dipole/long - -Self-exlanatory. - -U: Only one cutoff allowed when requesting all long - -Self-explanatory. - */ diff --git a/src/GPU/gpu_extra.h b/src/GPU/gpu_extra.h index 767ac1f477..ddb0b5ceaa 100644 --- a/src/GPU/gpu_extra.h +++ b/src/GPU/gpu_extra.h @@ -113,7 +113,8 @@ the host. See the package command. E: CPU neighbor lists must be used for ellipsoid/sphere mix. -UNDOCUMENTED +When using Gay-Berne or RE-squared pair styles with both ellipsoidal and +spherical particles, the neighbor list must be built on the CPU E: Invalid threads_per_atom specified. diff --git a/src/GPU/pair_lj_gromacs_gpu.h b/src/GPU/pair_lj_gromacs_gpu.h index 1b4707fb9d..011da3e291 100644 --- a/src/GPU/pair_lj_gromacs_gpu.h +++ b/src/GPU/pair_lj_gromacs_gpu.h @@ -56,9 +56,4 @@ E: Cannot use newton pair with lj/gromacs/gpu pair style Self-explanatory. -U: Pair style is incompatible with KSpace style - -If a pair style with a long-range Coulombic component is selected, -then a kspace style must also be used. - */ diff --git a/src/KSPACE/pair_buck_long_coul_long.h b/src/KSPACE/pair_buck_long_coul_long.h index 76c5b7088a..736742a77a 100644 --- a/src/KSPACE/pair_buck_long_coul_long.h +++ b/src/KSPACE/pair_buck_long_coul_long.h @@ -120,8 +120,4 @@ E: Pair cutoff < Respa interior cutoff One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs. -U: Geometric mixing assumed for 1/r^6 coefficients - -Self-explanatory. - */ diff --git a/src/KSPACE/pair_lj_long_coul_long.h b/src/KSPACE/pair_lj_long_coul_long.h index 7a825b85d4..c1628e3132 100644 --- a/src/KSPACE/pair_lj_long_coul_long.h +++ b/src/KSPACE/pair_lj_long_coul_long.h @@ -111,20 +111,4 @@ E: Pair cutoff < Respa interior cutoff One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs. -U: Mixing forced for lj coefficients - -Self-explanatory. - -U: Mixing forced for LJ coefficients - -Self-explanatory. - -U: Using largest cutoff for pair_style lj/long/coul/long - -Self-explanatory. - -U: Pair style lj/long/coul/long requires atom attribute q - -The atom style defined does not have this attribute. - */ diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h index 7765ef9636..bf6cb9bc89 100644 --- a/src/KSPACE/pppm.h +++ b/src/KSPACE/pppm.h @@ -333,9 +333,4 @@ E: Cannot (yet) use kspace_modify diff ad with compute group/group This option is not yet supported. -U: Cannot (yet) use K-space slab correction with compute group/group -for triclinic systems - -This option is not yet supported. - */ diff --git a/src/MANYBODY/fix_qeq_comb.h b/src/MANYBODY/fix_qeq_comb.h index 65d8573aed..62a0aa21ab 100644 --- a/src/MANYBODY/fix_qeq_comb.h +++ b/src/MANYBODY/fix_qeq_comb.h @@ -83,8 +83,4 @@ E: Fix qeq/comb group has no atoms Self-explanatory. -U: Must use pair_style comb with fix qeq/comb - -Self-explanatory. - */ diff --git a/src/MANYBODY/pair_airebo.h b/src/MANYBODY/pair_airebo.h index 1563be678f..619c97ba4f 100644 --- a/src/MANYBODY/pair_airebo.h +++ b/src/MANYBODY/pair_airebo.h @@ -212,10 +212,4 @@ E: Cannot open AIREBO potential file %s The specified AIREBO potential file cannot be opened. Check that the path and name are correct. -U: Neighbor list overflow, boost neigh_modify one or page - -There are too many neighbors of a single atom. Use the neigh_modify -command to increase the neighbor page size and the max number of -neighbors allowed for one atom. - */ diff --git a/src/MOLECULE/atom_vec_bond.h b/src/MOLECULE/atom_vec_bond.h index 2d04761860..13824a415f 100644 --- a/src/MOLECULE/atom_vec_bond.h +++ b/src/MOLECULE/atom_vec_bond.h @@ -85,8 +85,4 @@ E: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/MOLECULE/atom_vec_full.h b/src/MOLECULE/atom_vec_full.h index 3398e0a0b5..90476d510e 100644 --- a/src/MOLECULE/atom_vec_full.h +++ b/src/MOLECULE/atom_vec_full.h @@ -96,8 +96,4 @@ E: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/MOLECULE/atom_vec_molecular.h b/src/MOLECULE/atom_vec_molecular.h index b58ee56578..e8bacd31d1 100644 --- a/src/MOLECULE/atom_vec_molecular.h +++ b/src/MOLECULE/atom_vec_molecular.h @@ -94,8 +94,4 @@ E: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/MOLECULE/atom_vec_template.h b/src/MOLECULE/atom_vec_template.h index 06f8ef2ba9..6c12ff4967 100644 --- a/src/MOLECULE/atom_vec_template.h +++ b/src/MOLECULE/atom_vec_template.h @@ -111,10 +111,4 @@ E: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. -U: Illegal atom_style template command - -Self-explanatory. Check the input script syntax and compare to the -documentation for the command. You can use -echo screen as a -command-line option when running LAMMPS to see the offending line. - */ diff --git a/src/PERI/atom_vec_peri.h b/src/PERI/atom_vec_peri.h index f032e3b966..c3a1252d1a 100755 --- a/src/PERI/atom_vec_peri.h +++ b/src/PERI/atom_vec_peri.h @@ -86,8 +86,4 @@ E: Invalid mass value Self-explanatory. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/PERI/pair_peri_lps.h b/src/PERI/pair_peri_lps.h index cadbca6dd2..c9b063feea 100644 --- a/src/PERI/pair_peri_lps.h +++ b/src/PERI/pair_peri_lps.h @@ -102,8 +102,4 @@ E: Divide by 0 in influence function of pair peri/lps This should not normally occur. It is likely a problem with your model. -U: Pair peri requires a lattice be defined - -Use the lattice command for this purpose. - */ diff --git a/src/PERI/pair_peri_pmb.h b/src/PERI/pair_peri_pmb.h index b69fe4c3a7..23cc7cc47f 100644 --- a/src/PERI/pair_peri_pmb.h +++ b/src/PERI/pair_peri_pmb.h @@ -91,8 +91,4 @@ E: Fix peri neigh does not exist Somehow a fix that the pair style defines has been deleted. -U: Pair peri requires a lattice be defined - -Use the lattice command for this purpose. - */ diff --git a/src/SHOCK/fix_wall_piston.h b/src/SHOCK/fix_wall_piston.h index ea2b433571..db62606c9c 100644 --- a/src/SHOCK/fix_wall_piston.h +++ b/src/SHOCK/fix_wall_piston.h @@ -74,8 +74,4 @@ E: NL ramp in wall/piston only implemented in zlo for now The ramp keyword can only be used for piston applied to face zlo. -U: Use of fix wall/piston with undefined lattice - -A lattice must be defined before using this fix. - */ diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h index 7640015d57..a598c89149 100644 --- a/src/SRD/fix_srd.h +++ b/src/SRD/fix_srd.h @@ -345,11 +345,6 @@ W: SRD particle %d started inside big particle %d on step %ld bounce %d See the inside keyword if you want this message to be an error vs warning. -W: SRD particle %d started inside big particle %d on step %ld bounce %d - -See the inside keyword if you want this message to be an error vs -warning. - E: Bad quadratic solve for particle/line collision This is an internal error. It should nornally not occur. diff --git a/src/SRD/fix_wall_srd.h b/src/SRD/fix_wall_srd.h index ab02b79d0c..31cf15d662 100644 --- a/src/SRD/fix_wall_srd.h +++ b/src/SRD/fix_wall_srd.h @@ -90,9 +90,4 @@ E: Variable for fix wall/srd is invalid style Only equal-style variables can be used. -U: Use of fix wall with undefined lattice - -Must use lattice command with fix wall command if units option is set -to lattice. - */ diff --git a/src/atom_vec_atomic.h b/src/atom_vec_atomic.h index 8e3afd85ff..867e463394 100644 --- a/src/atom_vec_atomic.h +++ b/src/atom_vec_atomic.h @@ -75,8 +75,4 @@ E: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/atom_vec_body.h b/src/atom_vec_body.h index 5bcf3d4e52..2843da0af1 100644 --- a/src/atom_vec_body.h +++ b/src/atom_vec_body.h @@ -143,8 +143,4 @@ E: Assigning body parameters to non-body atom Self-explanatory. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/atom_vec_charge.h b/src/atom_vec_charge.h index 5326179720..12afd908d9 100644 --- a/src/atom_vec_charge.h +++ b/src/atom_vec_charge.h @@ -81,8 +81,4 @@ E: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/atom_vec_ellipsoid.h b/src/atom_vec_ellipsoid.h index 261cc75657..c2007d276b 100755 --- a/src/atom_vec_ellipsoid.h +++ b/src/atom_vec_ellipsoid.h @@ -126,8 +126,4 @@ E: Invalid shape in Ellipsoids section of data file Self-explanatory. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h index d0e89393e8..856be87c22 100644 --- a/src/atom_vec_hybrid.h +++ b/src/atom_vec_hybrid.h @@ -106,8 +106,4 @@ E: Invalid atom type in Atoms section of data file Atom types must range from 1 to specified # of types. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/atom_vec_line.h b/src/atom_vec_line.h index 258d930cf5..50dfeac288 100644 --- a/src/atom_vec_line.h +++ b/src/atom_vec_line.h @@ -133,8 +133,4 @@ E: Inconsistent line segment in data file The end points of the line segment are not equal distances from the center point which is the atom coordinate. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/atom_vec_sphere.h b/src/atom_vec_sphere.h index b9535c23a0..fd82b7c5b1 100644 --- a/src/atom_vec_sphere.h +++ b/src/atom_vec_sphere.h @@ -102,8 +102,4 @@ E: Invalid density in Atoms section of data file Density value cannot be <= 0.0. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/atom_vec_tri.h b/src/atom_vec_tri.h index ea6c8e6461..6db175eb28 100644 --- a/src/atom_vec_tri.h +++ b/src/atom_vec_tri.h @@ -143,8 +143,4 @@ E: Insufficient Jacobi rotations for triangle The calculation of the intertia tensor of the triangle failed. This should not happen if it is a reasonably shaped triangle. -U: Invalid atom ID in Atoms section of data file - -Atom IDs must be positive integers. - */ diff --git a/src/change_box.h b/src/change_box.h index 3e4f626eea..146751d314 100644 --- a/src/change_box.h +++ b/src/change_box.h @@ -121,9 +121,4 @@ W: Lost atoms via change_box: original %ld current %ld The command options you have used caused atoms to be lost. -U: Use of change_box with undefined lattice - -Must use lattice command with displace_box command if units option is -set to lattice. - */ diff --git a/src/compute_temp_ramp.h b/src/compute_temp_ramp.h index 987e16ad11..4eaa21de50 100644 --- a/src/compute_temp_ramp.h +++ b/src/compute_temp_ramp.h @@ -63,9 +63,4 @@ Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. -U: Use of compute temp/ramp with undefined lattice - -Must use lattice command with compute temp/ramp command if units -option is set to lattice. - */ diff --git a/src/displace_atoms.h b/src/displace_atoms.h index ee746373f5..ab30ab5989 100644 --- a/src/displace_atoms.h +++ b/src/displace_atoms.h @@ -74,9 +74,4 @@ W: Lost atoms via displace_atoms: original %ld current %ld The command options you have used caused atoms to be lost. -U: Use of displace_atoms with undefined lattice - -Must use lattice command with displace_atoms command if units option -is set to lattice. - */ diff --git a/src/fix_deform.h b/src/fix_deform.h index 1dae5e9b36..c8f7d8a829 100644 --- a/src/fix_deform.h +++ b/src/fix_deform.h @@ -132,8 +132,4 @@ When both yz and xy are changing, it induces changes in xz if the box must flip from one tilt extreme to another. Thus it is not allowed for yz to grow so much that a flip is induced. -U: Use of fix deform with undefined lattice - -A lattice must be defined to use fix deform with units = lattice. - */ diff --git a/src/fix_dt_reset.h b/src/fix_dt_reset.h index 4275aba1b3..92abf3b638 100644 --- a/src/fix_dt_reset.h +++ b/src/fix_dt_reset.h @@ -61,9 +61,4 @@ W: Dump dcd/xtc timestamp may be wrong with fix dt/reset If the fix changes the timestep, the dump dcd file will not reflect the change. -U: Use of fix dt/reset with undefined lattice - -Must use lattice command with fix dt/reset command if units option is -set to lattice. - */ diff --git a/src/fix_indent.h b/src/fix_indent.h index f84bb7991d..7fbeaad1a7 100644 --- a/src/fix_indent.h +++ b/src/fix_indent.h @@ -77,9 +77,4 @@ E: Variable for fix indent is not equal style Only equal-style variables can be used. -U: Use of fix indent with undefined lattice - -The lattice command must be used to define a lattice before using the -fix indent command. - */ diff --git a/src/fix_move.h b/src/fix_move.h index 9ad3c70890..02c01fa900 100644 --- a/src/fix_move.h +++ b/src/fix_move.h @@ -127,9 +127,4 @@ E: Resetting timestep is not allowed with fix move This is because fix move is moving atoms based on elapsed time. -U: Use of fix move with undefined lattice - -Must use lattice command with fix move command if units option is -set to lattice. - */ diff --git a/src/fix_recenter.h b/src/fix_recenter.h index 9ee5e46a14..0abe8dcf56 100644 --- a/src/fix_recenter.h +++ b/src/fix_recenter.h @@ -64,9 +64,4 @@ W: Fix recenter should come after all other integration fixes Other fixes may change the position of the center-of-mass, so fix recenter should come last. -U: Use of fix recenter with undefined lattice - -Must use lattice command with fix recenter command if units option is -set to lattice. - */ diff --git a/src/fix_shear_history.h b/src/fix_shear_history.h index 15a7b6d932..3e525a2327 100644 --- a/src/fix_shear_history.h +++ b/src/fix_shear_history.h @@ -84,10 +84,4 @@ There are too many neighbors of a single atom. Use the neigh_modify command to increase the max number of neighbors allowed for one atom. You may also want to boost the page size. -U: Too many touching neighbors - boost MAXTOUCH - -A granular simulation has too many neighbors touching one atom. The -MAXTOUCH parameter in fix_shear_history.cpp must be set larger and -LAMMPS must be re-built. - */ diff --git a/src/fix_wall.h b/src/fix_wall.h index 6e74045a3a..07bd0a5e24 100644 --- a/src/fix_wall.h +++ b/src/fix_wall.h @@ -98,9 +98,4 @@ E: Variable evaluation in fix wall gave bad value The returned value for epsilon or sigma < 0.0. -U: Use of fix wall with undefined lattice - -Must use lattice command with fix wall command if units option is set -to lattice. - */ diff --git a/src/fix_wall_reflect.h b/src/fix_wall_reflect.h index 5bc3a879cd..971c30e698 100644 --- a/src/fix_wall_reflect.h +++ b/src/fix_wall_reflect.h @@ -79,9 +79,4 @@ W: Should not allow rigid bodies to bounce off relecting walls LAMMPS allows this, but their dynamics are not computed correctly. -U: Use of fix wall with undefined lattice - -Must use lattice command with fix wall command if units option is set -to lattice. - */ diff --git a/src/force.h b/src/force.h index c2109d0899..bb6788faf1 100644 --- a/src/force.h +++ b/src/force.h @@ -152,12 +152,4 @@ A command with an argument that specifies an integer or range of integers is using a value that is less than 1 or greater than the maximum allowed limit. -U: Expected floating point parameter in input script or data file - -The quantity being read is an integer on non-numeric value. - -U: Expected integer parameter in input script or data file - -The quantity being read is a floating point or non-numeric value. - */ diff --git a/src/image.h b/src/image.h index 58e634c09e..1d7854f302 100644 --- a/src/image.h +++ b/src/image.h @@ -177,8 +177,4 @@ E: Invalid image up vector Up vector cannot be (0,0,0). -U: Invalid image color range - -The lo value in the range is larger than the hi value. - */ diff --git a/src/region.h b/src/region.h index 9c16036573..dc39eff5da 100644 --- a/src/region.h +++ b/src/region.h @@ -107,9 +107,4 @@ E: Region cannot have 0 length rotation vector Self-explanatory. -U: Use of region with undefined lattice - -If units = lattice (the default) for the region command, then a -lattice must first be defined via the lattice command. - */ diff --git a/src/respa.h b/src/respa.h index 5bf3d053dd..26a719867d 100644 --- a/src/respa.h +++ b/src/respa.h @@ -126,13 +126,4 @@ E: Pair style does not support rRESPA inner/middle/outer You are attempting to use rRESPA options with a pair style that does not support them. -U: Fix shake with rRESPA computes invalid pressures - -This is a known bug in LAMMPS that has not yet been fixed. If you use -SHAKE with rRESPA and perform a constant volume simulation (e.g. using -fix npt) this only affects the output pressure, not the dynamics of -the simulation. If you use SHAKE with rRESPA and perform a constant -pressure simulation (e.g. using fix npt) then you will be -equilibrating to the wrong volume. - */